2-tert-butylsulfonylpyrazine

C8H12N2O2S — CID 10488255

IUPAC2-tert-butylsulfonylpyrazine
SMILESCC(C)(C)S(=O)(=O)c1cnccn1
InChIInChI=1S/C8H12N2O2S/c1-8(2,3)13(11,12)7-6-9-4-5-10-7/h4-6H,1-3H3
InChIKeyXAZMKNZLCBQYTQ-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.05
Rot. Bonds1

About 2-tert-butylsulfonylpyrazine

2-tert-butylsulfonylpyrazine (PubChem CID 10488255) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-tert-butylsulfonylpyrazine.

Molecular Properties

Compound Name2-tert-butylsulfonylpyrazine
PubChem CID10488255
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-tert-butylsulfonylpyrazine
SMILESCC(C)(C)S(=O)(=O)c1cnccn1
InChIInChI=1S/C8H12N2O2S/c1-8(2,3)13(11,12)7-6-9-4-5-10-7/h4-6H,1-3H3
InChIKeyXAZMKNZLCBQYTQ-UHFFFAOYSA-N
XLogP1.05
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonylpyrazine?
The IUPAC name of 2-tert-butylsulfonylpyrazine (CID 10488255) is 2-tert-butylsulfonylpyrazine.
What is the SMILES notation for 2-tert-butylsulfonylpyrazine?
The canonical SMILES for 2-tert-butylsulfonylpyrazine is CC(C)(C)S(=O)(=O)c1cnccn1.
What is the InChIKey of 2-tert-butylsulfonylpyrazine?
The InChIKey is XAZMKNZLCBQYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-8(2,3)13(11,12)7-6-9-4-5-10-7/h4-6H,1-3H3.
What are the key properties of 2-tert-butylsulfonylpyrazine?
2-tert-butylsulfonylpyrazine has a molecular weight of 200.26 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonylpyrazine is sourced from PubChem (CID 10488255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).